methyl 7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

C16H15N3O4 — CID 163264283

IUPACmethyl 7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1cc2nccc(-c3ccc(OC)c(OC)c3)n2n1
InChIInChI=1S/C16H15N3O4/c1-21-13-5-4-10(8-14(13)22-2)12-6-7-17-15-9-11(16(20)23-3)18-19(12)15/h4-9H,1-3H3
InChIKeyKXDNPBNAMCPMPI-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.20
Rot. Bonds4

About methyl 7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

methyl 7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 163264283) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is methyl 7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID163264283
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Namemethyl 7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1cc2nccc(-c3ccc(OC)c(OC)c3)n2n1
InChIInChI=1S/C16H15N3O4/c1-21-13-5-4-10(8-14(13)22-2)12-6-7-17-15-9-11(16(20)23-3)18-19(12)15/h4-9H,1-3H3
InChIKeyKXDNPBNAMCPMPI-UHFFFAOYSA-N
XLogP2.20
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 163264283) is methyl 7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate is COC(=O)c1cc2nccc(-c3ccc(OC)c(OC)c3)n2n1.
What is the InChIKey of methyl 7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is KXDNPBNAMCPMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-21-13-5-4-10(8-14(13)22-2)12-6-7-17-15-9-11(16(20)23-3)18-19(12)15/h4-9H,1-3H3.
What are the key properties of methyl 7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
methyl 7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 313.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 163264283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).